Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C4H10N2O/c5-3-1-2-4(6)7/h1-3,5H2,(H2,6,7)
SMILES NCCCC(=O)N
InChI Key WCVPFJVXEXJFLB-UHFFFAOYSA-N
Molecular Formula C4H10N2O
Exact Mass 102.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WCVPFJVXEXJFLB-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WCVPFJVXEXJFLB-UHFFFAOYSA-N/IR
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:38:08.184734
MetadataModified 2024-09-07T12:53:31.987334
MetadataPublished 2014-05-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
14747431 PubChem: Thomson Pharma
18615 PubChem
3251-08-9 ACToR
221668 Brenda
SCHEMBL24276313 SureChEMBL
29849938 eMolecules
MCULE-8262250872 Mcule
SCHEMBL3105 SureChEMBL
45538 Brenda
31745 Brenda
120672 Brenda
CHEMBL1199935 ChEMBL
DTXSID80186235 EPA CompTox Dashboard
J65.812J Nikkaji
ZINC000002027378 ZINC
The data in this table is sourced from UniChem at EBI.